1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentyl-3-(phenylmethyl)urea

Systemtic Name: 1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentyl-3-(phenylmethyl)urea Openeye Name: 3-benzyl-1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentyl-urea CAS Name: 1-[[1-[(3-chlorophenyl)methyl]-2-pyrrolyl]methyl]-1-pentyl-3-(phenylmethyl)urea IUPAC Name: 3-benzyl-1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea Traditional Name: 1-amyl-3-benzyl-1-[[1-(3-chlorobenzyl)pyrrol-2-yl]methyl]urea Formula: C25H30ClN3O MolecularWeight: 423.9782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=CC=CN1CC2=CC(=CC=C2)Cl)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCCCCN(CC1=CC=CN1CC2=CC(=CC=C2)Cl)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C25H30ClN3O/c1-2-3-7-15-29(25(30)27-18-21-10-5-4-6-11-21)20-24-14-9-16-28(24)19-22-12-8-13-23(26)17-22/h4-6,8-14,16-17H,2-3,7,15,18-20H2,1H3,(H,27,30)